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. 2023 Nov 16;13:20038. doi: 10.1038/s41598-023-46867-6

Table 2.

Metabolites tentatively identified from C.colocynthis (L.) fruits ethyl acetate extract via positive mode HPLC-ESI-QTOF-MS/MS.

No. Tentative identification Molecular formula Rt Ionization ESI(+ /−) Molecular weight Theoretical (m/z) [M − H]+ Observed (m/z) MS/MS production
1

Ferulic acid30

graphic file with name 41598_2023_46867_Figa_HTML.gif

 C10H10O4 0.11 [M − H]+ 194.057 195.065 194.9014 145.0324, 149.0614, 177.0544, 195.065
2

Isovaleric acid8

graphic file with name 41598_2023_46867_Figb_HTML.gif

 C5H10O2 0.2 [M − H]+ 102.068 103.076 103.937 58.0646, 61.0393, 103.076
3

1,4-Dideoxy-1,4-imino-d arabinitol8

graphic file with name 41598_2023_46867_Figc_HTML.gif

 C5H11NO3 0.7 [M − H]+ 133.073 134.081 134.942 58.968, 84.962, 16.932
4

4-Hydroxy-l-threonine8

graphic file with name 41598_2023_46867_Figd_HTML.gif

 C4H9NO4 0.8 [M − H]+ 135.053 136.061 136.22 58.968, 71.242, 123.43
5

Lysine31

graphic file with name 41598_2023_46867_Fige_HTML.gif

 C6H14N2O2 1.86 [M − H]+ 146.1055 147.9543 147.1133 84.9573, 96.9986, 125.9832
6

Syringic acid30

graphic file with name 41598_2023_46867_Figf_HTML.gif

 C9H10O5 2.74 [M − H]+ 198.893 199.06 198.893 83.983, 138.05, 166.961, 182
7

Chrysin30

graphic file with name 41598_2023_46867_Figg_HTML.gif

 C15H10O4 3.15 [M − H]+ 254.058 255.066 255.971 143.0493, 209.0600, 253.0493
8

l-Carnitine8

graphic file with name 41598_2023_46867_Figh_HTML.gif

 C7H16NO3 4.35 [M − H]+ 162.113 163.121 162.937 58.968, 84.957, 115.932
9

Cinnamic acid32

graphic file with name 41598_2023_46867_Figi_HTML.gif

 C9H8O2 5.14 [M − H]+ 148.052 149.06 149.035 56.964, 84.957, 125.983
10

Vanillic acid30

graphic file with name 41598_2023_46867_Figj_HTML.gif

 C8H8O4 7.06 [M − H]+ 168.04 169.05 169.08 64.017, 127.07, 143.99
11

Protocatechuic acid 4-glucoside30

graphic file with name 41598_2023_46867_Figk_HTML.gif

 C13H16O9 8.38 [M − H]+ 316.079 317.087 317.68 61.01, 81.52, 113.0
12

Ascorbic acid30

graphic file with name 41598_2023_46867_Figl_HTML.gif

 C6H8O6 8.77 [M − H]+ 176.032 177.04 177.075 64.02, 84.96, 134.96
13

Pantothenic acid8

graphic file with name 41598_2023_46867_Figm_HTML.gif

 C9H17NO5 10.2 [M − H]+ 219.11 220.12 220.959 66.02, 110.01, 134.99
14

Apigenin30

graphic file with name 41598_2023_46867_Fign_HTML.gif

 C15H10O5 11.51 [M − H]+ 270.05 271.06 271.86 55.98, 70.01, 116.93
15

Caffeic acid32

graphic file with name 41598_2023_46867_Figo_HTML.gif

 C9H8O4 11.93 [M − H]+ 180.042 181.05 182 84.96, 123.03, 148.07
16

Lariciresinol-glucopyranoside33

graphic file with name 41598_2023_46867_Figp_HTML.gif

 C26H34O11 12.52 [M − H]+ 522.202 523.21 523.981 82.026, 138.008, 186.99
17

Palmitic acid8,31

graphic file with name 41598_2023_46867_Figq_HTML.gif

 C16H32O2 13.55 [M − H]+ 256.24 257.25 257.08 60.043, 143.99, 184.92
18

Cucurbita-5(10),6,23-triene-3β,25-diol

34

graphic file with name 41598_2023_46867_Figr_HTML.gif

 C30H48O2 16.14 [M − H]+ 440.36 441.37 442.13 70.01, 299.80, 392.86
19

Apigenin-7-rutinoside33

graphic file with name 41598_2023_46867_Figs_HTML.gif

 C27H30O14 17.16 [M − H]+ 578.155 579.16 579.28 55.05, 176.99, 318.89
20

Kaempferol 3-O-(6”-O-acetyl) glycoside

33

graphic file with name 41598_2023_46867_Figt_HTML.gif

 C23H22O12 24.41 [M − H]+ 490.103 491.111 491.1615 101.05, 181.06, 245.09
21

Myricetin-3-O-glucoside30

graphic file with name 41598_2023_46867_Figu_HTML.gif

 C21H20O13 26.17 [M − H]+ 480.090 481.098 481.3263 84.96, 143.99, 239.09, 317.179
22

Chicoric acid30

graphic file with name 41598_2023_46867_Figv_HTML.gif

 C22H18O12 27.05 [M − H]+ 474.079 475.087 475.305 445.18, 453.20, 473.20
23

m-Coumaric acid33

graphic file with name 41598_2023_46867_Figw_HTML.gif

 C9H8O3 34.59 [M − H]+ 164.047 165.055 165.0688 56.99, 84.96, 109.06